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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → (R)-N-(2,2-dimethoxyethyl)-2-(4-methylbenzenesulfonamido)pent-4-ynamide

HRID 1432000
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HRID 1432000 반응식
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C@H:12]([CH2:16][C:17]#[CH:18])[C:13]([OH:15])=O)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.[CH3:38][O:39][CH:40]([O:43][CH3:44])[CH2:41][NH2:42].CCN=C=NCCCN(C)C>CN(C=O)C>[CH3:38][O:39][CH:40]([O:43][CH3:44])[CH2:41][NH:42][C:13](=[O:15])[C@H:12]([NH:11][S:8]([C:5]1[CH:4]=[CH:3][C:2]([CH3:1])=[CH:7][CH:6]=1)(=[O:9])=[O:10])[CH2:16][C:17]#[CH:18]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 89728Aminoacetaldehyde dimethyl acetalHCID 10978432(R)-2-(4-methylbenzenesulfonamido)pent-4-ynoic acid

생성물 1

HCID 86604863(R)-N-(2,2-dimethoxyethyl)-2-(4-methylbenzenesulfonamido)pent-4-ynamide

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

A mixture of (R)-2-(4-methylbenzenesulfonamido)pent-4-ynoic acid (11.0 g, 41.2 mmol), HOBt (6.67 g, 49.4 mmol), iPr2NEt (6.40 g, 49.4 mmol), (2,2-dimethoxyethyl)amine (8.70 g, 82.33 mmol), and EDCI (9.5 g, 49 mmol) in DMF (100 mL) was stirred for 24 h at RT. The reaction mixture was concentrated, taken up in H2O, and extracted with EtOAc (3×). The organic extracts were dried over MgSO4 and concentrated to give the title compound. 1H NMR (400 MHz, CDCl3): δ 2.15 (s, 1H), 2.43 (m, 1H), 2.51 (s, 3H), 2.88 (m, 1H), 2.94 (s, 3H), 2.96 (s, 3H), 3.37 (m, 3H), 3.85 (m, 1H), 4.33 (m, 1H), 6.78 (s, 1H), 7.33 (d, 8.0 Hz, 2H), 7.76 (d, 8.0 Hz, 2H), 8.01 (s, 1H).

후처리

  1. concentrationThe reaction mixture was concentrated
  2. extractionextracted with EtOAc (3×)
  3. dry with materialThe organic extracts were dried over MgSO4
  4. concentrationconcentrated

출처 및 근거

ORD 기록
ord-6772d50de44a48c4b0ef55145c3ce161
출처 데이터셋
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07612060B2

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